2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

C60H80O16 — CID 167599846

IUPAC2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
SMILESCC(C)(C)c1cc(OCC2CO2)c(C(C)(C)C)cc1OCC1CO1.Cc1cc(OCC2CO2)c(C)c(C)c1OCC1CO1.Cc1cc(OCC2CO2)ccc1OCC1CO1.c1cc(OCC2CO2)ccc1OCC1CO1
InChIInChI=1S/C20H30O4.C15H20O4.C13H16O4.C12H14O4/c1-19(2,3)15-7-18(24-12-14-10-22-14)16(20(4,5)6)8-17(15)23-11-13-9-21-13;1-9-4-14(18-7-12-5-16-12)10(2)11(3)15(9)19-8-13-6-17-13;1-9-4-10(14-5-11-6-15-11)2-3-13(9)17-8-12-7-16-12;1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h7-8,13-14H,9-12H2,1-6H3;4,12-13H,5-8H2,1-3H3;2-4,11-12H,5-8H2,1H3;1-4,11-12H,5-8H2
InChIKeyJONPDJOQOAIOOR-UHFFFAOYSA-N
MW1057.28 g/mol
LogP8.80
Rot. Bonds24

About 2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane

2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane (PubChem CID 167599846) has the molecular formula C60H80O16 and a molecular weight of 1057.28 g/mol. Its IUPAC name is 2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane.

Molecular Properties

Compound Name2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
PubChem CID167599846
Molecular FormulaC60H80O16
Molecular Weight1057.28 g/mol
Exact Mass1056.54
IUPAC Name2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane
SMILESCC(C)(C)c1cc(OCC2CO2)c(C(C)(C)C)cc1OCC1CO1.Cc1cc(OCC2CO2)c(C)c(C)c1OCC1CO1.Cc1cc(OCC2CO2)ccc1OCC1CO1.c1cc(OCC2CO2)ccc1OCC1CO1
InChIInChI=1S/C20H30O4.C15H20O4.C13H16O4.C12H14O4/c1-19(2,3)15-7-18(24-12-14-10-22-14)16(20(4,5)6)8-17(15)23-11-13-9-21-13;1-9-4-14(18-7-12-5-16-12)10(2)11(3)15(9)19-8-13-6-17-13;1-9-4-10(14-5-11-6-15-11)2-3-13(9)17-8-12-7-16-12;1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h7-8,13-14H,9-12H2,1-6H3;4,12-13H,5-8H2,1-3H3;2-4,11-12H,5-8H2,1H3;1-4,11-12H,5-8H2
InChIKeyJONPDJOQOAIOOR-UHFFFAOYSA-N
XLogP8.80
TPSA174.08 Ų
H-Bond Donors
H-Bond Acceptors16
Rotatable Bonds24
Heavy Atoms76
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001057.28
LogP ≤ 58.80
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 1016

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

Analyze 2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane with MolForge

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Frequently Asked Questions

What is the IUPAC name of 2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The IUPAC name of 2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane (CID 167599846) is 2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane.
What is the SMILES notation for 2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The canonical SMILES for 2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane is CC(C)(C)c1cc(OCC2CO2)c(C(C)(C)C)cc1OCC1CO1.Cc1cc(OCC2CO2)c(C)c(C)c1OCC1CO1.Cc1cc(OCC2CO2)ccc1OCC1CO1.c1cc(OCC2CO2)ccc1OCC1CO1.
What is the InChIKey of 2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
The InChIKey is JONPDJOQOAIOOR-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H30O4.C15H20O4.C13H16O4.C12H14O4/c1-19(2,3)15-7-18(24-12-14-10-22-14)16(20(4,5)6)8-17(15)23-11-13-9-21-13;1-9-4-14(18-7-12-5-16-12)10(2)11(3)15(9)19-8-13-6-17-13;1-9-4-10(14-5-11-6-15-11)2-3-13(9)17-8-12-7-16-12;1-2-10(14-6-12-8-16-12)4-3-9(1)13-5-11-7-15-11/h7-8,13-14H,9-12H2,1-6H3;4,12-13H,5-8H2,1-3H3;2-4,11-12H,5-8H2,1H3;1-4,11-12H,5-8H2.
What are the key properties of 2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane?
2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane has a molecular weight of 1057.28 g/mol, XLogP of 8.80, 24 rotatable bonds, 0 hydrogen bond donors, and 16 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[2,5-ditert-butyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2-methyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane;2-[[2,3,5-trimethyl-4-(oxiran-2-ylmethoxy)phenoxy]methyl]oxirane is sourced from PubChem (CID 167599846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).